N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide

C13H26N2O2 — CID 113056803

IUPACN-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide
SMILESCC(=O)N(CCNC(=O)C(C)C)CCC(C)C
InChIInChI=1S/C13H26N2O2/c1-10(2)6-8-15(12(5)16)9-7-14-13(17)11(3)4/h10-11H,6-9H2,1-5H3,(H,14,17)
InChIKeyXWDCCHCASOXCIT-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.65
Rot. Bonds7

About N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide

N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide (PubChem CID 113056803) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide
PubChem CID113056803
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide
SMILESCC(=O)N(CCNC(=O)C(C)C)CCC(C)C
InChIInChI=1S/C13H26N2O2/c1-10(2)6-8-15(12(5)16)9-7-14-13(17)11(3)4/h10-11H,6-9H2,1-5H3,(H,14,17)
InChIKeyXWDCCHCASOXCIT-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-ethylbutanamide
CID 113056810
N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide
CID 113052235
3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide
CID 113122880
N-[2-[acetyl(cyclopentyl)amino]ethyl]-2-methylpropanamide
CID 113052772
N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 113054821
3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide
CID 176987317
N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113056855
2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113166468
3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113122832
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide
CID 113166451
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056884

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide (CID 113056803) is N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide is CC(=O)N(CCNC(=O)C(C)C)CCC(C)C.
What is the InChIKey of N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide?
The InChIKey is XWDCCHCASOXCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)6-8-15(12(5)16)9-7-14-13(17)11(3)4/h10-11H,6-9H2,1-5H3,(H,14,17).
What are the key properties of N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide?
N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 113056803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).